BAS 00413457
TL;DR: BAS 00413457 (CAS 1351584-45-6) is a chemical compound with molecular formula C13H15N5O3 and molecular weight 289.1175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-(dimethylamino)methylidene]amino] 4-methylbenzoate
Also Known As: BAS 00413457, [(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-(dimethylamino)methylidene]amino] 4-methylbenzoate, 4-amino-N,N-dimethyl-N'-[(4-methylbenzoyl)oxy]-1,2,5-oxadiazole-3-carboximidamide, (Z)-4-amino-N,N-dimethyl-N'-((4-methylbenzoyl)oxy)-1,2,5-oxadiazole-3-carboximidamide, 4-amino-N,N-dimethyl-N'-{[(4-methylphenyl)carbonyl]oxy}-1,2,5-oxadiazole-3-carboximidamide
Technical Specifications
| Molecular Formula | C13H15N5O3 |
| Molecular Weight | 289.1175 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1175 Da |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)O/N=C(/C2=NON=C2N)\N(C)C |
| InChIKey | IJWAUHCWNSXSEQ-ATVHPVEESA-N |
Chemical Property Profile of BAS 00413457
Property Insights of BAS 00413457
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00413457. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00413457. Following Lipinski's Rule of Five, BAS 00413457 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00413457?
The CAS number of BAS 00413457 is 1351584-45-6.
What is the molecular formula of BAS 00413457?
The molecular formula of BAS 00413457 is C13H15N5O3.
What is the molecular weight of BAS 00413457?
The molecular weight of BAS 00413457 is 289.1175 g/mol.
Where can I buy BAS 00413457?
You can request a quote for BAS 00413457 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00413457?
Yes, CoreyChem provides custom synthesis services for BAS 00413457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.